1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea

C14H13ClN4O2 — CID 156854116

IUPAC1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
SMILESNNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4O2/c15-9-4-3-5-10(8-9)17-14(21)18-12-7-2-1-6-11(12)13(20)19-16/h1-8H,16H2,(H,19,20)(H2,17,18,21)
InChIKeyQOZXQKSQZUHAHY-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea

1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea (PubChem CID 156854116) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
PubChem CID156854116
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
SMILESNNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4O2/c15-9-4-3-5-10(8-9)17-14(21)18-12-7-2-1-6-11(12)13(20)19-16/h1-8H,16H2,(H,19,20)(H2,17,18,21)
InChIKeyQOZXQKSQZUHAHY-UHFFFAOYSA-N
XLogP2.59
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
2-[[2-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062561
1-[2-(3-chlorobenzoyl)phenyl]-3-phenylurea
CID 4738250
4-[2-[(3-chlorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 851960
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
N-[2-[(3-chlorophenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 167800033
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
CID 73055968
CID 73055968
1-(4-bromo-2-carbamothioylphenyl)-3-(3-chlorophenyl)urea
CID 82693917
1-(3-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52947148

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea (CID 156854116) is 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea is NNC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea?
The InChIKey is QOZXQKSQZUHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-9-4-3-5-10(8-9)17-14(21)18-12-7-2-1-6-11(12)13(20)19-16/h1-8H,16H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea?
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea has a molecular weight of 304.74 g/mol, XLogP of 2.59, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea is sourced from PubChem (CID 156854116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).